Trent E. Balius
Trent E. Balius
Frederick National Laboratory for Cancer Research
Verified email at - Homepage
Cited by
Cited by
Ultra-large library docking for discovering new chemotypes
J Lyu, S Wang, TE Balius, I Singh, A Levit, YS Moroz, MJ O’Meara, T Che, ...
Nature 566 (7743), 224-229, 2019
DOCK 6: Impact of new features and current docking performance
WJ Allen, TE Balius, S Mukherjee, SR Brozell, DT Moustakas, PT Lang, ...
Journal of computational chemistry 36 (15), 1132-1156, 2015
A practical guide to large-scale docking
BJ Bender, S Gahbauer, A Luttens, J Lyu, CM Webb, RM Stein, EA Fink, ...
Nature protocols 16 (10), 4799-4832, 2021
Docking validation resources: protein family and ligand flexibility experiments
S Mukherjee, TE Balius, RC Rizzo
Journal of chemical information and modeling 50 (11), 1986-2000, 2010
Evaluation of DOCK 6 as a pose generation and database enrichment tool
SR Brozell, S Mukherjee, TE Balius, DR Roe, DA Case, RC Rizzo
Journal of computer-aided molecular design 26, 749-773, 2012
Targeting fatty acid binding protein (FABP) anandamide transporters–a novel strategy for development of anti-inflammatory and anti-nociceptive drugs
WT Berger, BP Ralph, M Kaczocha, J Sun, TE Balius, RC Rizzo, ...
PloS one 7 (12), e50968, 2012
Vorinostat increases carboplatin and paclitaxel activity in non‐small cell lung cancer cells
TK Owonikoko, SS Ramalingam, B Kanterewicz, TE Balius, CP Belani, ...
International journal of cancer 126 (3), 743-755, 2010
Implementation and evaluation of a docking‐rescoring method using molecular footprint comparisons
TE Balius, S Mukherjee, RC Rizzo
Journal of computational chemistry 32 (10), 2273-2289, 2011
Testing inhomogeneous solvation theory in structure-based ligand discovery
TE Balius, M Fischer, RM Stein, TB Adler, CN Nguyen, A Cruz, MK Gilson, ...
Proceedings of the National Academy of Sciences 114 (33), E6839-E6846, 2017
Quantitative prediction of fold resistance for inhibitors of EGFR
TE Balius, RC Rizzo
Biochemistry 48 (35), 8435-8448, 2009
Property-unmatched decoys in docking benchmarks
RM Stein, Y Yang, TE Balius, MJ O’Meara, J Lyu, J Young, K Tang, ...
Journal of chemical information and modeling 61 (2), 699-714, 2021
Discovery of lysine-targeted eIF4E inhibitors through covalent docking
X Wan, T Yang, A Cuesta, X Pang, TE Balius, JJ Irwin, BK Shoichet, ...
Journal of the American Chemical Society 142 (11), 4960-4964, 2020
The small molecule BI-2852 induces a nonfunctional dimer of KRAS
TH Tran, P Alexander, S Dharmaiah, C Agamasu, DV Nissley, ...
Proceedings of the National Academy of Sciences 117 (7), 3363-3364, 2020
Novel K-Ras G12C switch-II covalent binders destabilize Ras and accelerate nucleotide exchange
CI Nnadi, ML Jenkins, DR Gentile, LA Bateman, D Zaidman, TE Balius, ...
Journal of chemical information and modeling 58 (2), 464-471, 2018
Homologous ligands accommodated by discrete conformations of a buried cavity
M Merski, M Fischer, TE Balius, O Eidam, BK Shoichet
Proceedings of the National Academy of Sciences 112 (16), 5039-5044, 2015
Origins of resistance to the HIVgp41 viral entry inhibitor T20
BE McGillick, TE Balius, S Mukherjee, RC Rizzo
Biochemistry 49 (17), 3575-3592, 2010
Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets
WJ Allen, BC Fochtman, TE Balius, RC Rizzo
Journal of computational chemistry 38 (30), 2641-2663, 2017
Grid‐based molecular footprint comparison method for docking and de novo design: Application to HIVgp41
TE Balius, WJ Allen, S Mukherjee, RC Rizzo
Journal of computational chemistry 34 (14), 1226-1240, 2013
Computer-aided identification, synthesis, and biological evaluation of novel inhibitors for botulinum neurotoxin serotype A
YHG Teng, WT Berger, NM Nesbitt, K Kumar, TE Balius, RC Rizzo, ...
Bioorganic & Medicinal Chemistry 23 (17), 5489-5495, 2015
RAS nanoclusters: dynamic signaling platforms amenable to therapeutic intervention
QN Van, P Prakash, R Shrestha, TE Balius, TJ Turbyville, AG Stephen
Biomolecules 11 (3), 377, 2021
The system can't perform the operation now. Try again later.
Articles 1–20